SCHEMBL21720105

SCHEMBL21720105

Cc1nc(C(C)(C)C)oc1I

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
PIK3CG P48736 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21721290 0.78 ELANE (0.33) ELANEKDM4EPOLB
SCHEMBL21720696 0.76 ELANE (0.32) ELANE
SCHEMBL21721400 0.76 KDM4E (0.37) ELANEKDM4EPOLB
SCHEMBL10212104 0.75 ELANE (0.35) ELANEKDM4EPOLBPIK3CG
SCHEMBL21721284 0.74 LMNA (0.33) ELANE
SCHEMBL10227003 0.73 ELANE (0.34) ELANEKDM4EPOLBPIK3CG
SCHEMBL21721647 0.71 ELANE (0.33) ELANE
SCHEMBL21721276 0.71 ELANE (0.33) ELANEPIK3CG
SCHEMBL26776594 0.71 PIK3CG (0.39) ELANEPIK3CG
SCHEMBL21718822 0.71 ELANE (0.33) ELANEPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807274-B1 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER LEAD DISCOVERY CENTER GMBH (DE) 2022-07-27 EP disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ELANE 4166/4885KDM4E 595/4885POLB 4045/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ELANE 4166/4885KDM4E 595/4885POLB 4045/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.